CID 503018

156198-94-6

Structural Information

Molecular Formula
C8H11FN3O6PS
SMILES
C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1
InChIKey
WQOMZMVXTRGMHZ-NTSWFWBYSA-N
Compound name
[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.00903 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.01631 162.8
[M+Na]+ 349.99825 170.4
[M-H]- 326.00175 162.7
[M+NH4]+ 345.04285 173.5
[M+K]+ 365.97219 168.8
[M+H-H2O]+ 310.00629 152.8
[M+HCOO]- 372.00723 180.1
[M+CH3COO]- 386.02288 200.0
[M+Na-2H]- 347.98370 161.2
[M]+ 327.00848 163.6
[M]- 327.00958 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.